#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cr7 s SER 2 N 0.00 4.25 -0.32 1.61 0.15 -1.26 -5.09 113.70 113.04 2cr7 s SER 2 Ca 0.00 -1.49 -0.24 0.00 0.70 0.00 0.00 55.95 54.92 2cr7 s SER 2 Cb 0.00 -1.36 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 2cr7 s SER 2 CO 0.00 -0.27 0.81 -0.44 1.20 0.00 0.00 173.24 174.55 2cr7 s SER 3 N 1.22 6.67 0.80 5.45 0.01 -1.26 -5.04 113.70 121.55 2cr7 s SER 3 Ca -0.02 0.65 -0.11 0.00 1.31 0.00 0.00 55.95 57.78 2cr7 s SER 3 Cb -0.19 -2.42 0.08 0.00 0.21 0.00 0.00 66.02 63.70 2cr7 s SER 3 CO -0.08 -0.65 1.12 -0.83 0.41 0.00 0.00 173.24 173.20 2cr7 s GLY 4 N 1.66 1.76 -0.09 3.44 0.00 -1.26 -5.00 107.32 107.82 2cr7 s GLY 4 Ca 0.33 0.42 -0.04 0.00 0.00 0.00 0.00 44.72 45.43 2cr7 s GLY 4 CO 0.13 0.79 -0.11 -1.26 0.00 0.00 0.00 173.10 172.65 2cr7 n SER 5 N -3.60 0.62 -4.11 1.64 2.88 -1.26 -4.99 113.62 104.80 2cr7 n SER 5 Ca 0.10 0.11 -0.33 0.00 -1.33 0.00 0.00 58.87 57.42 2cr7 n SER 5 Cb 0.52 -0.26 -0.16 0.00 -0.75 0.00 0.00 64.21 63.57 2cr7 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cr7 s SER 6 N -5.80 3.63 0.00 -3.46 0.15 -1.26 -5.04 113.70 101.92 2cr7 s SER 6 Ca -0.12 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 55.64 2cr7 s SER 6 Cb 0.05 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.84 2cr7 s SER 6 CO 0.16 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2cr7 n GLY 7 N 4.57 0.01 2.93 9.45 0.00 -1.26 -5.05 105.19 115.84 2cr7 n GLY 7 Ca -0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 2cr7 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2cr7 s VAL 8 N 0.00 -0.57 -0.17 1.61 1.01 -1.26 -5.05 120.40 115.96 2cr7 s VAL 8 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 2cr7 s VAL 8 Cb 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.53 2cr7 s VAL 8 CO 0.00 -0.11 -0.15 1.41 0.00 0.00 0.00 175.10 176.26 2cr7 n HIS 9 N 5.36 0.70 -3.05 5.22 8.25 -1.26 -4.87 115.22 125.57 2cr7 n HIS 9 Ca -0.04 0.30 -0.41 0.00 -0.26 0.00 0.00 57.72 57.31 2cr7 n HIS 9 Cb 0.50 -0.81 -0.06 0.00 1.12 0.00 0.00 29.99 30.74 2cr7 n HIS 9 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2cr7 s VAL 10 N -2.41 4.89 0.15 1.59 0.11 -1.26 -5.01 120.40 118.46 2cr7 s VAL 10 Ca -0.22 0.99 -0.34 0.00 -2.93 0.00 0.00 61.98 59.48 2cr7 s VAL 10 Cb 0.04 -4.05 -0.14 0.00 -1.53 0.00 0.00 36.38 30.71 2cr7 s VAL 10 CO 0.35 -0.17 1.59 -1.84 -3.33 0.00 0.00 175.10 171.71 2cr7 n GLU 11 N 5.98 2.16 -3.85 1.54 0.28 -1.26 -4.95 120.64 120.54 2cr7 n GLU 11 Ca 0.01 0.78 -0.10 0.00 -0.16 0.00 0.00 57.16 57.69 2cr7 n GLU 11 Cb 0.49 -2.56 0.02 0.00 1.43 0.00 0.00 31.44 30.82 2cr7 n GLU 11 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2cr7 s ASP 12 N 1.05 0.16 0.32 -1.84 1.11 -1.26 -5.14 116.67 111.07 2cr7 s ASP 12 Ca 0.79 -1.22 0.02 0.00 0.18 0.00 0.00 52.55 52.33 2cr7 s ASP 12 Cb -0.68 0.83 0.02 0.00 1.07 0.00 0.00 42.92 44.17 2cr7 s ASP 12 CO 0.38 -1.64 0.19 0.00 1.18 0.00 0.00 175.17 175.28 2cr7 n ALA 13 N -0.54 0.45 -2.52 5.23 0.00 -1.26 -4.64 120.51 117.22 2cr7 n ALA 13 Ca -0.07 -1.30 -0.10 0.00 0.00 0.00 0.00 53.44 51.97 2cr7 n ALA 13 Cb 0.60 0.57 -0.02 0.00 0.00 0.00 0.00 19.45 20.60 2cr7 n ALA 13 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2cr7 n LEU 14 N 0.00 -0.20 -0.11 0.00 -0.00 -1.26 -4.70 117.00 110.73 2cr7 n LEU 14 Ca -0.03 -0.06 -0.22 0.00 -0.00 0.00 0.00 56.01 55.70 2cr7 n LEU 14 Cb 0.37 -0.86 -0.10 0.00 -0.00 0.00 0.00 43.42 42.83 2cr7 n LEU 14 CO 0.21 0.02 -0.74 0.41 -0.00 0.00 0.00 177.39 177.30 2cr7 n THR 15 N -2.22 1.52 0.09 1.47 -1.04 -1.26 -4.19 114.28 108.66 2cr7 n THR 15 Ca 0.03 -0.09 -0.05 0.00 -2.04 0.00 0.00 64.05 61.90 2cr7 n THR 15 Cb 0.35 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 66.81 2cr7 n THR 15 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 2cr7 h TYR 16 N -1.00 0.02 -0.05 -1.42 5.03 -1.93 -3.31 116.97 114.31 2cr7 h TYR 16 Ca -0.39 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 60.94 2cr7 h TYR 16 Cb 1.30 -0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.52 2cr7 h TYR 16 CO 0.00 0.85 -0.29 1.25 -1.32 0.00 0.00 178.16 178.65 2cr7 h LEU 17 N 0.01 -0.88 -0.98 2.82 7.12 -1.94 -2.23 115.31 119.23 2cr7 h LEU 17 Ca -0.01 0.12 0.18 0.00 0.13 0.00 0.00 57.88 58.30 2cr7 h LEU 17 Cb 1.49 0.36 -0.18 0.00 -0.53 0.00 0.00 40.66 41.80 2cr7 h LEU 17 CO 0.11 -0.35 -0.29 -0.78 -0.13 0.00 0.00 178.44 177.00 2cr7 h ASP 18 N -0.40 -1.09 -0.86 1.25 3.58 -1.73 0.56 116.42 117.73 2cr7 h ASP 18 Ca 0.08 0.30 0.22 0.00 0.42 0.00 0.00 57.03 58.05 2cr7 h ASP 18 Cb 0.52 0.66 -0.15 0.00 1.72 0.00 0.00 39.33 42.08 2cr7 h ASP 18 CO -0.28 -0.31 0.13 1.56 -2.88 0.00 0.00 179.24 177.45 2cr7 h GLN 19 N -0.00 0.13 0.78 0.28 4.20 -1.57 -1.01 115.11 117.92 2cr7 h GLN 19 Ca 0.43 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 59.09 2cr7 h GLN 19 Cb 0.68 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.43 2cr7 h GLN 19 CO -1.00 0.09 -0.38 0.28 -0.67 0.00 0.00 178.83 177.15 2cr7 h VAL 20 N 0.14 0.19 -0.99 -0.54 2.07 0.11 0.20 116.25 117.44 2cr7 h VAL 20 Ca 0.52 -0.07 0.33 0.00 0.82 0.00 0.00 66.70 68.29 2cr7 h VAL 20 Cb 1.02 0.21 -0.15 0.00 -1.52 0.00 0.00 31.29 30.84 2cr7 h VAL 20 CO -0.71 0.01 0.51 0.50 0.02 0.00 0.00 177.57 177.90 2cr7 h LYS 21 N -1.11 0.24 0.02 1.57 3.64 -0.88 0.43 116.57 120.48 2cr7 h LYS 21 Ca -0.11 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2cr7 h LYS 21 Cb 0.82 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2cr7 h LYS 21 CO 0.18 0.16 -0.01 0.82 -2.27 0.00 0.00 179.45 178.32 2cr7 h ILE 22 N 0.25 1.46 -0.50 2.00 2.04 -1.07 -2.41 117.51 119.28 2cr7 h ILE 22 Ca 0.73 -1.73 0.10 0.00 1.00 0.00 0.00 64.86 64.96 2cr7 h ILE 22 Cb 1.70 2.58 -0.10 0.00 -0.74 0.00 0.00 36.82 40.26 2cr7 h ILE 22 CO -0.65 0.43 -0.29 -0.09 0.00 0.00 0.00 178.15 177.54 2cr7 h ARG 23 N -0.81 -0.17 -1.00 2.37 9.65 0.14 0.05 114.38 124.61 2cr7 h ARG 23 Ca -0.00 0.01 -0.65 0.00 -1.10 0.00 0.00 59.98 58.23 2cr7 h ARG 23 Cb 0.72 0.04 -0.29 0.00 -1.39 0.00 0.00 29.97 29.05 2cr7 h ARG 23 CO 0.01 -0.11 0.83 1.19 2.80 0.00 0.00 179.97 184.68 2cr7 n PHE 24 N -5.42 3.21 0.12 2.20 3.72 -0.06 -4.70 117.46 116.53 2cr7 n PHE 24 Ca 0.03 -2.85 -0.13 0.00 -0.05 0.00 0.00 57.45 54.45 2cr7 n PHE 24 Cb 0.34 -1.37 -0.06 0.00 -0.94 0.00 0.00 39.48 37.45 2cr7 n PHE 24 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2cr7 h GLY 25 N 1.85 -0.54 -1.43 1.37 0.00 -0.44 -1.54 103.07 102.34 2cr7 h GLY 25 Ca 0.61 0.33 0.00 0.00 0.00 0.00 0.00 47.33 48.27 2cr7 h GLY 25 CO 1.52 -0.23 0.00 -1.14 0.00 0.00 0.00 176.54 176.68 2cr7 n SER 26 N -5.39 2.06 -3.67 0.19 3.41 -1.26 -4.46 113.62 104.48 2cr7 n SER 26 Ca -0.07 -2.14 -0.28 0.00 -0.26 0.00 0.00 58.87 56.13 2cr7 n SER 26 Cb 0.30 -0.34 -0.11 0.00 -0.26 0.00 0.00 64.21 63.80 2cr7 n SER 26 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2cr7 s ASP 27 N -0.74 3.32 0.44 4.04 1.11 -0.58 -4.94 116.67 119.32 2cr7 s ASP 27 Ca 0.20 -3.39 0.23 0.00 0.18 0.00 0.00 52.55 49.78 2cr7 s ASP 27 Cb 0.13 -1.08 0.98 0.00 1.07 0.00 0.00 42.92 44.01 2cr7 s ASP 27 CO 0.11 -0.14 1.86 1.55 1.18 0.00 0.00 175.17 179.73 2cr7 h PRO 28 N 5.66 0.00 0.42 8.23 0.13 -1.78 -2.97 132.00 141.69 2cr7 h PRO 28 Ca 0.17 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 2cr7 h PRO 28 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2cr7 h PRO 28 CO 0.55 0.25 -0.31 0.00 -0.23 0.00 0.00 178.00 178.26 2cr7 h ALA 29 N 1.75 -0.72 -0.03 -0.56 0.00 -1.92 -0.16 119.26 117.62 2cr7 h ALA 29 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2cr7 h ALA 29 Cb 0.68 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2cr7 h ALA 29 CO 0.03 -0.93 -0.00 1.15 0.00 0.00 0.00 179.25 179.50 2cr7 h THR 30 N -0.72 1.25 -0.88 0.00 2.02 -1.93 -2.91 112.91 109.75 2cr7 h THR 30 Ca -0.04 -0.76 0.18 0.00 0.77 0.00 0.00 66.41 66.55 2cr7 h THR 30 Cb 0.61 1.70 -0.11 0.00 -1.74 0.00 0.00 68.15 68.61 2cr7 h THR 30 CO 0.01 0.20 0.43 0.22 0.37 0.00 0.00 175.52 176.76 2cr7 h TYR 31 N -0.24 0.74 0.21 3.16 3.20 -1.49 -1.44 116.97 121.10 2cr7 h TYR 31 Ca 0.01 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2cr7 h TYR 31 Cb 0.33 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2cr7 h TYR 31 CO 0.03 0.09 -0.12 -0.91 -1.64 0.00 0.00 178.16 175.62 2cr7 h ASN 32 N 0.54 -0.28 -1.87 -2.11 2.35 -0.92 -2.32 115.58 110.97 2cr7 h ASN 32 Ca 0.51 0.01 0.55 0.00 -0.55 0.00 0.00 56.30 56.82 2cr7 h ASN 32 Cb 0.84 0.08 -0.08 0.00 0.05 0.00 0.00 38.32 39.20 2cr7 h ASN 32 CO -0.43 -0.19 1.33 1.23 -1.65 0.00 0.00 177.43 177.72 2cr7 h GLY 33 N -0.31 0.17 0.22 2.83 0.00 -1.06 0.43 103.07 105.36 2cr7 h GLY 33 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2cr7 h GLY 33 CO 0.03 -0.06 -0.01 -2.75 0.00 0.00 0.00 176.54 173.75 2cr7 h PHE 34 N 0.00 -0.04 -0.98 5.60 3.57 -1.40 -3.16 116.94 120.54 2cr7 h PHE 34 Ca 0.91 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 62.68 2cr7 h PHE 34 Cb 3.58 0.01 -0.13 0.00 2.79 0.00 0.00 35.95 42.20 2cr7 h PHE 34 CO -0.00 0.65 0.53 -0.07 -2.23 0.00 0.00 178.31 177.19 2cr7 h LEU 35 N -0.82 0.52 -1.03 0.59 3.38 -0.08 0.59 115.31 118.48 2cr7 h LEU 35 Ca -0.00 0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2cr7 h LEU 35 Cb 0.70 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2cr7 h LEU 35 CO 0.01 -0.01 -0.05 -0.33 0.09 0.00 0.00 178.44 178.15 2cr7 h GLU 36 N 0.45 0.64 0.48 1.13 5.08 -1.52 -2.33 114.58 118.50 2cr7 h GLU 36 Ca 0.65 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.82 2cr7 h GLU 36 Cb 1.33 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2cr7 h GLU 36 CO -0.54 0.69 -0.23 0.82 -1.00 0.00 0.00 179.01 178.76 2cr7 h ILE 37 N 0.59 0.50 -0.42 3.13 2.04 0.21 -3.14 117.51 120.42 2cr7 h ILE 37 Ca 0.12 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.81 2cr7 h ILE 37 Cb 0.46 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 2cr7 h ILE 37 CO 0.02 0.04 0.08 0.24 0.00 0.00 0.00 178.15 178.53 2cr7 h MET 38 N -0.79 0.20 -1.25 2.37 2.86 -1.36 -1.31 114.93 115.65 2cr7 h MET 38 Ca -0.07 -0.01 0.43 0.00 -2.06 0.00 0.00 59.70 57.99 2cr7 h MET 38 Cb 0.56 -0.05 -0.14 0.00 0.06 0.00 0.00 31.60 32.03 2cr7 h MET 38 CO 0.11 0.13 0.78 0.87 1.06 0.00 0.00 176.91 179.86 2cr7 h LYS 39 N 0.21 0.08 -0.26 1.72 1.57 -1.37 0.91 116.57 119.43 2cr7 h LYS 39 Ca 0.20 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 2cr7 h LYS 39 Cb 0.25 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2cr7 h LYS 39 CO -0.27 0.05 -0.17 0.93 -0.57 0.00 0.00 179.45 179.43 2cr7 h GLU 40 N 0.08 0.57 0.00 3.15 4.39 -1.22 -2.84 114.58 118.70 2cr7 h GLU 40 Ca 0.83 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 60.24 2cr7 h GLU 40 Cb 2.48 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 31.12 2cr7 h GLU 40 CO -0.50 0.84 -0.09 0.35 -1.16 0.00 0.00 179.01 178.45 2cr7 h PHE 41 N 0.29 0.00 -0.12 4.33 3.04 0.80 0.29 116.94 125.57 2cr7 h PHE 41 Ca 0.05 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.80 2cr7 h PHE 41 Cb 0.69 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.21 2cr7 h PHE 41 CO 0.07 0.09 -0.75 -0.22 -2.02 0.00 0.00 178.31 175.47 2cr7 h LYS 42 N 0.00 0.63 -0.58 1.11 3.64 -0.76 -3.03 116.57 117.57 2cr7 h LYS 42 Ca -0.00 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2cr7 h LYS 42 Cb 0.44 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2cr7 h LYS 42 CO 0.01 1.13 0.00 0.43 -2.27 0.00 0.00 179.45 178.75 2cr7 n SER 43 N -3.89 2.98 -1.84 4.20 7.64 -1.01 -4.88 113.62 116.82 2cr7 n SER 43 Ca -0.06 -2.25 -0.19 0.00 1.01 0.00 0.00 58.87 57.38 2cr7 n SER 43 Cb 0.73 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 63.45 2cr7 n SER 43 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cr7 n GLN 44 N 0.58 -1.41 0.11 1.43 1.13 -1.07 -4.87 117.38 113.28 2cr7 n GLN 44 Ca 0.15 1.01 -0.04 0.00 -1.94 0.00 0.00 57.00 56.19 2cr7 n GLN 44 Cb 0.57 -5.45 0.05 0.00 0.11 0.00 0.00 30.24 25.52 2cr7 n GLN 44 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2cr7 h SER 45 N 0.00 0.01 -3.99 1.08 0.87 -0.67 -3.46 113.55 107.38 2cr7 h SER 45 Ca -0.42 -0.01 -0.39 0.00 -1.23 0.00 0.00 61.79 59.75 2cr7 h SER 45 Cb 1.28 -0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.10 2cr7 h SER 45 CO 0.54 0.78 -0.63 0.27 -0.53 0.00 0.00 176.83 177.26 2cr7 s ILE 46 N -3.25 0.86 0.50 2.23 -4.36 -1.21 -4.97 121.20 110.99 2cr7 s ILE 46 Ca -0.00 -2.01 0.06 0.00 -0.26 0.00 0.00 60.65 58.43 2cr7 s ILE 46 Cb 0.12 -2.59 0.01 0.00 1.25 0.00 0.00 42.46 41.24 2cr7 s ILE 46 CO 0.79 -0.10 0.31 -1.81 0.24 0.00 0.00 174.94 174.37 2cr7 s ASP 47 N -3.36 4.59 0.16 4.36 1.11 -1.26 -4.66 116.67 117.61 2cr7 s ASP 47 Ca 0.35 -1.19 -0.29 0.00 0.18 0.00 0.00 52.55 51.60 2cr7 s ASP 47 Cb 0.07 0.11 -0.02 0.00 1.07 0.00 0.00 42.92 44.16 2cr7 s ASP 47 CO 0.13 -0.90 1.55 0.74 1.18 0.00 0.00 175.17 177.87 2cr7 h THR 48 N 0.99 0.03 0.00 -1.27 2.02 -2.01 0.79 112.91 113.47 2cr7 h THR 48 Ca -0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2cr7 h THR 48 Cb 1.29 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 2cr7 h THR 48 CO 0.62 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.70 2cr7 n PRO 49 N -5.36 0.09 0.08 6.66 -0.04 -1.26 -2.46 135.00 132.71 2cr7 n PRO 49 Ca 0.01 0.21 0.02 0.00 -0.04 0.00 0.00 63.50 63.70 2cr7 n PRO 49 Cb 0.33 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.25 2cr7 n PRO 49 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2cr7 h GLY 50 N 2.42 0.00 1.36 0.55 0.00 0.22 -3.32 103.07 104.30 2cr7 h GLY 50 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2cr7 h GLY 50 CO 0.00 0.00 -1.04 -0.24 0.00 0.00 0.00 176.54 175.26 2cr7 h VAL 51 N 0.00 0.57 0.30 4.60 3.04 -1.01 -3.37 116.25 120.38 2cr7 h VAL 51 Ca -0.09 -1.97 -0.01 0.00 -1.01 0.00 0.00 66.70 63.62 2cr7 h VAL 51 Cb 1.45 2.12 0.00 0.00 -2.01 0.00 0.00 31.29 32.86 2cr7 h VAL 51 CO 0.05 0.33 -0.14 0.40 -1.01 0.00 0.00 177.57 177.19 2cr7 h ILE 52 N 0.00 0.70 -0.92 3.17 2.04 -1.66 -1.61 117.51 119.23 2cr7 h ILE 52 Ca -0.09 -0.59 0.27 0.00 1.00 0.00 0.00 64.86 65.44 2cr7 h ILE 52 Cb 1.45 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 2cr7 h ILE 52 CO 0.05 0.11 0.86 -0.09 0.00 0.00 0.00 178.15 179.09 2cr7 h ARG 53 N -0.74 0.00 0.00 2.37 2.43 -1.72 0.21 114.38 116.92 2cr7 h ARG 53 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2cr7 h ARG 53 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2cr7 h ARG 53 CO 0.07 0.00 -0.02 0.00 -1.51 0.00 0.00 179.97 178.51 2cr7 h ARG 54 N 0.00 0.00 -0.32 0.20 2.47 -1.67 -3.30 114.38 111.75 2cr7 h ARG 54 Ca 0.44 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 59.25 2cr7 h ARG 54 Cb 2.16 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.47 2cr7 h ARG 54 CO -0.00 0.00 0.71 -0.24 0.56 0.00 0.00 179.97 180.99 2cr7 h VAL 55 N -0.08 0.09 -0.19 2.04 3.04 -0.87 0.42 116.25 120.70 2cr7 h VAL 55 Ca 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.60 2cr7 h VAL 55 Cb 0.02 0.36 -0.00 0.00 -2.01 0.00 0.00 31.29 29.66 2cr7 h VAL 55 CO 0.00 0.00 -0.24 0.77 -1.01 0.00 0.00 177.57 177.09 2cr7 h SER 56 N 0.00 0.54 -0.07 3.17 4.64 -0.75 -3.01 113.55 118.08 2cr7 h SER 56 Ca 0.15 -0.50 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 2cr7 h SER 56 Cb 1.57 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.51 2cr7 h SER 56 CO -0.00 0.94 -0.08 0.06 -0.87 0.00 0.00 176.83 176.87 2cr7 h GLN 57 N 0.16 0.18 -0.67 4.77 3.07 -0.26 -2.68 115.11 119.67 2cr7 h GLN 57 Ca 0.02 -0.10 0.13 0.00 0.09 0.00 0.00 58.65 58.79 2cr7 h GLN 57 Cb 0.81 0.01 -0.13 0.00 0.08 0.00 0.00 27.48 28.25 2cr7 h GLN 57 CO 0.06 0.64 -0.22 1.25 0.09 0.00 0.00 178.83 180.65 2cr7 h LEU 58 N -0.28 -0.79 -3.84 0.06 5.85 -1.49 0.31 115.31 115.14 2cr7 h LEU 58 Ca 0.01 0.22 -0.54 0.00 0.84 0.00 0.00 57.88 58.41 2cr7 h LEU 58 Cb 0.62 0.47 -0.27 0.00 0.37 0.00 0.00 40.66 41.85 2cr7 h LEU 58 CO 0.02 -0.25 0.69 0.49 -0.34 0.00 0.00 178.44 179.05 2cr7 n PHE 59 N -5.46 2.82 -0.29 1.25 3.72 -1.14 -4.61 117.46 113.75 2cr7 n PHE 59 Ca 0.08 -2.28 0.17 0.00 -0.05 0.00 0.00 57.45 55.36 2cr7 n PHE 59 Cb 0.36 -1.12 0.44 0.00 -0.94 0.00 0.00 39.48 38.22 2cr7 n PHE 59 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 2cr7 h HIS 60 N 1.41 0.74 0.00 1.38 2.07 -0.01 0.35 115.15 121.09 2cr7 h HIS 60 Ca 0.56 0.02 -0.12 0.00 -2.85 0.00 0.00 60.37 57.98 2cr7 h HIS 60 Cb 1.72 -0.22 -0.02 0.00 2.57 0.00 0.00 27.41 31.46 2cr7 h HIS 60 CO 1.37 0.18 -0.57 0.93 -3.07 0.00 0.00 177.93 176.77 2cr7 h GLU 61 N 0.54 0.00 -3.55 5.12 5.08 -1.82 -3.38 114.58 116.58 2cr7 h GLU 61 Ca 0.52 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 58.14 2cr7 h GLU 61 Cb 1.09 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.02 2cr7 h GLU 61 CO -0.25 0.57 -0.03 -1.01 -1.00 0.00 0.00 179.01 177.28 2cr7 s HIS 62 N -3.28 3.78 0.24 4.33 3.76 0.12 -4.88 115.29 119.36 2cr7 s HIS 62 Ca 0.01 -2.63 0.21 0.00 -0.15 0.00 0.00 55.06 52.50 2cr7 s HIS 62 Cb 0.10 -3.47 0.92 0.00 1.11 0.00 0.00 32.58 31.24 2cr7 s HIS 62 CO 0.74 -0.86 1.84 -1.00 -0.85 0.00 0.00 174.74 174.61 2cr7 h PRO 63 N 6.84 0.00 -0.15 8.40 0.13 -1.75 -2.89 132.00 142.59 2cr7 h PRO 63 Ca 0.10 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.12 2cr7 h PRO 63 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 2cr7 h PRO 63 CO 0.81 0.28 -0.40 0.38 -0.23 0.00 0.00 178.00 178.84 2cr7 h ASP 64 N 0.00 0.34 -0.01 1.44 2.03 -1.90 -2.98 116.42 115.34 2cr7 h ASP 64 Ca -0.00 -0.14 -0.08 0.00 -0.73 0.00 0.00 57.03 56.07 2cr7 h ASP 64 Cb 0.70 -0.10 0.01 0.00 -0.83 0.00 0.00 39.33 39.11 2cr7 h ASP 64 CO 0.04 0.71 -0.30 -0.07 -1.03 0.00 0.00 179.24 178.59 2cr7 h LEU 65 N 0.27 0.28 -0.73 0.15 3.38 -1.87 -2.81 115.31 113.99 2cr7 h LEU 65 Ca 0.03 -0.75 0.15 0.00 0.09 0.00 0.00 57.88 57.40 2cr7 h LEU 65 Cb 0.83 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 41.39 2cr7 h LEU 65 CO 0.07 1.00 0.19 0.40 0.09 0.00 0.00 178.44 180.18 2cr7 h ILE 66 N -0.40 0.54 -0.46 1.22 2.04 -1.51 -0.39 117.51 118.54 2cr7 h ILE 66 Ca -0.03 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 2cr7 h ILE 66 Cb 1.04 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2cr7 h ILE 66 CO 0.06 0.05 -0.10 0.58 0.00 0.00 0.00 178.15 178.75 2cr7 h VAL 67 N 0.29 1.27 -0.67 1.67 2.07 -1.60 -3.14 116.25 116.14 2cr7 h VAL 67 Ca 0.41 -1.21 0.13 0.00 0.82 0.00 0.00 66.70 66.85 2cr7 h VAL 67 Cb 0.68 1.10 -0.09 0.00 -1.52 0.00 0.00 31.29 31.46 2cr7 h VAL 67 CO -0.49 0.42 0.19 1.23 0.02 0.00 0.00 177.57 178.94 2cr7 h GLY 68 N 0.73 0.93 -0.90 2.17 0.00 -0.81 -1.81 103.07 103.38 2cr7 h GLY 68 Ca 0.12 -0.07 0.19 0.00 0.00 0.00 0.00 47.33 47.58 2cr7 h GLY 68 CO 0.04 -0.12 -0.23 -2.75 0.00 0.00 0.00 176.54 173.48 2cr7 h PHE 69 N 0.32 -0.50 0.71 5.60 3.57 -1.37 -0.01 116.94 125.26 2cr7 h PHE 69 Ca 0.36 0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.91 2cr7 h PHE 69 Cb 0.56 0.37 0.01 0.00 2.79 0.00 0.00 35.95 39.67 2cr7 h PHE 69 CO -0.23 -0.41 -0.35 -0.91 -2.23 0.00 0.00 178.31 174.19 2cr7 h ASN 70 N 0.00 -0.83 -0.87 0.41 2.35 -1.48 -2.07 115.58 113.09 2cr7 h ASN 70 Ca 0.46 0.03 0.12 0.00 -0.55 0.00 0.00 56.30 56.36 2cr7 h ASN 70 Cb 0.70 0.22 -0.14 0.00 0.05 0.00 0.00 38.32 39.15 2cr7 h ASN 70 CO -0.98 -0.58 -0.44 0.00 -1.65 0.00 0.00 177.43 173.78 2cr7 h ALA 71 N -1.53 -0.11 0.04 -0.83 0.00 -1.15 -1.66 119.26 114.01 2cr7 h ALA 71 Ca -0.10 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2cr7 h ALA 71 Cb 0.74 1.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 2cr7 h ALA 71 CO 0.15 -0.75 -0.35 0.35 0.00 0.00 0.00 179.25 178.66 2cr7 h PHE 72 N -0.06 -1.02 -0.08 0.00 3.57 -1.02 -3.40 116.94 114.94 2cr7 h PHE 72 Ca 0.26 0.03 -0.54 0.00 3.53 0.00 0.00 57.97 61.25 2cr7 h PHE 72 Cb 0.55 0.44 -0.08 0.00 2.79 0.00 0.00 35.95 39.65 2cr7 h PHE 72 CO -0.85 -0.38 1.68 1.28 -2.23 0.00 0.00 178.31 177.81 2cr7 n LEU 73 N -4.42 0.47 -4.56 0.59 4.77 -0.63 -4.78 117.00 108.45 2cr7 n LEU 73 Ca -0.05 0.24 -0.39 0.00 -0.03 0.00 0.00 56.01 55.77 2cr7 n LEU 73 Cb 0.26 -0.95 -0.03 0.00 -2.33 0.00 0.00 43.42 40.38 2cr7 n LEU 73 CO 0.09 -0.76 1.59 -2.16 -1.33 0.00 0.00 177.39 174.81 2cr7 s PRO 74 N 8.46 2.73 -0.66 3.23 0.04 -1.26 -4.94 135.00 142.60 2cr7 s PRO 74 Ca 1.32 0.71 -0.26 0.00 0.04 0.00 0.00 61.00 62.80 2cr7 s PRO 74 Cb -1.25 -4.36 0.04 0.00 0.04 0.00 0.00 34.50 28.97 2cr7 s PRO 74 CO 0.51 -2.60 1.17 -1.12 0.04 0.00 0.00 177.00 175.00 2cr7 s SER 75 N 7.73 6.26 0.00 6.66 0.01 -1.26 -5.01 113.70 128.09 2cr7 s SER 75 Ca 0.68 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.57 2cr7 s SER 75 Cb -0.14 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2cr7 s SER 75 CO 0.22 -1.61 0.00 0.61 0.41 0.00 0.00 173.24 172.87 2cr7 n GLY 76 N 5.25 -1.78 3.58 3.44 0.00 -1.26 -4.88 105.19 109.55 2cr7 n GLY 76 Ca 0.03 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 2cr7 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cr7 s PRO 77 N 0.00 3.12 0.55 1.61 0.04 -1.26 -4.99 135.00 134.06 2cr7 s PRO 77 Ca 0.00 1.05 0.02 0.00 0.04 0.00 0.00 61.00 62.11 2cr7 s PRO 77 Cb 0.00 -4.24 0.04 0.00 0.04 0.00 0.00 34.50 30.34 2cr7 s PRO 77 CO 0.00 -2.13 0.77 0.45 0.04 0.00 0.00 177.00 176.13 2cr7 s SER 78 N 6.46 5.25 -0.01 6.66 0.15 -1.26 -5.11 113.70 125.84 2cr7 s SER 78 Ca 0.72 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 57.27 2cr7 s SER 78 Cb -0.17 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.36 2cr7 s SER 78 CO 0.29 -1.16 -0.01 -0.94 1.20 0.00 0.00 173.24 172.62 2cr7 s SER 79 N -4.45 5.07 0.00 5.45 1.04 -1.26 -5.31 113.70 114.24 2cr7 s SER 79 Ca 0.58 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2cr7 s SER 79 Cb -0.10 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.71 2cr7 s SER 79 CO 0.38 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.50